AMBER Archive (2006)

Subject: Re: AMBER: Compile AMBER 8

From: David A. Case (
Date: Fri Oct 27 2006 - 11:45:36 CDT

On Fri, Oct 27, 2006, Esther Brugger wrote:
> I just start to use the AMBER 8 recently...

> ifort -c -w95 -mp1 -O0 -o new2oldparm.o _new2oldparm.f
> cpp -traditional -P -I/home/Esther/amber/amber8/src/include nxtsec.f > _nxtsec.f
> ifort -c -w95 -mp1 -O0 -o nxtsec.o _nxtsec.f
> ifort -o new2oldparm new2oldparm.o nxtsec.o
> IPO link: can not find "("
> ifort: error: problem during multi-file optimization compilation (code 1)

Just a couple of added comments:

1. We deliberately start an install with compilation of a very simple
program. In almost all cases, when this step fails, there is something wrong
with the compiler installation, not with the Amber code. (Of course, you
probably already know that, but you could check to see if you can compile even
simple Fortran programs with your installation).

2. The g95 compiler is very simple to install and is free to all users. For
many people, this is an excellent way to get started, learn how Amber works,
and to see if it is really going to be useful for you. Of course, if you are
planning to do time-consuming simulations, it is worth the effort to get the
Intel (or other) compiler to do what you want, but you can often delay
crossing that bridge until later.

[I recognize that this doesn't really solve the problem you originally
reported... ]

...good luck...dac
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